Molecule

ID:108166

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂O₄
Molecular Mass
168.10696
Exact Mass
168.01710662
Charge
0
InChI
InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H
InChIKey
IZUKQUVSCNEFMJ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1[N+](=O)[O-]
Isomeric Smiles
[O-][N+](=O)c1ccccc1[N+](=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
1.85
LogD (pH = 5.5)
1.85
Log P
1.85
Rotatable Bonds
2
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Polar Surface Area
86.28
Polarizability
13.58
Molar Refractivity
38.70
LOG S
-2.85
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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